SCHEMBL2944913

SCHEMBL2944913

O=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.62
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
CA7 P43166 1/20 0.62
CA9 Q16790 1/20 0.62
MAOB P27338 1/20 0.61
MAPT P10636 4/20 0.57
PLA2G4B P0C869 1/20 0.56
PTGS2 P35354 1/20 0.55
RAB9A P51151 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 1/20 0.53
TP53 P04637 1/20 0.53
CYP1A2 P05177 1/20 0.53
ALOX15 P16050 1/20 0.53
MAPK1 P28482 1/20 0.53
RECQL P46063 1/20 0.53
KMT2A Q03164 1/20 0.53
CACNA1C Q13936 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28621039 0.88 CA12 (0.76) CA12CA1CA2CA7CA9
SCHEMBL9118878 0.85 MAPT (0.66) MAPTPTGS2RAB9ANPSR1ALDH1A1
SCHEMBL23223734 0.85 RAB9A (0.69) MAOBMAPTRAB9AALDH1A1MEN1
SCHEMBL11614936 0.85 RAB9A (0.69) MAOBMAPTRAB9AALDH1A1MEN1
SCHEMBL17560120 0.82 MAOB (0.64) MAOBMAPTRAB9AALDH1A1MEN1
SCHEMBL14554257 0.82 MAOA (0.67) MAOBMAPTRAB9ANPSR1ALDH1A1
SCHEMBL8948959 0.82 MAOB (0.70) CA12CA1CA2CA7CA9
SCHEMBL8948956 0.82 CA12 (0.68) CA12CA1CA2CA7CA9
SCHEMBL18429783 0.81 APP (0.67) CA12CA1CA2CA7CA9
SCHEMBL19308585 0.81 MAOB (0.68) CA12CA1CA2CA7CA9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102015993-B Encapsulated benefit agent UNILEVER PLC 2013-03-27 CN claimed
CN-102952142-A Synthesis method of three novel benzyloxy-containing porphyrin compounds UNIV EAST CHINA SCIENCE & TECH 2013-03-06 CN claimed
EP-2460855-A2 Oxygen scavenging compositions and packaging comprising said compositions Constar International Inc. (US) 2012-06-06 EP claimed
CN-102015993-A Encapsulated benefit agent UNILEVER PLC 2011-04-13 CN claimed
US-20090278087-A1 Oxygen Scavenging Compositions and Packaging Comprising Said Compositions CONSTAR INTERNATIONAL, INC (US) 2009-11-12 US claimed
CN-101193976-A Oxygen scavenging compositions and packages comprising the same CONSTAR INT INC (US) 2008-06-04 CN claimed
EP-1848659-A2 OXYGEN SCAVENGING COMPOSITIONS AND PACKAGING COMPRISING SAID COMPOSITIONS Constar International Inc. (US) 2007-10-31 EP claimed
WO-2006088889-A2 OXYGEN SCAVENGING COMPOSITIONS AND PACKAGING COMPRISING SAID COMPOSITIONS CONSTAR INTERNATIONAL, INC. (US) 2006-08-24 WO claimed
US-20060180790-A1 polyesters; melt polymerization; packaging CONSTAR INTERNATIONAL INC. (US) 2006-08-17 US claimed
CN-111019644-B Rapid quantitative detection of tumor hypoxia related enzyme by using cofactor-substrate probe platform 大连理工大学 2023-03-31 CN disclosed
WO-2021120653-A1 COFACTOR-SUBSTRATE PROBE PLATFORM FOR FAST QUANTITATIVE DETECTION OF TUMOR HYPOXIA RELATED ENZYME 大连理工大学 2021-06-24 WO disclosed
CN-111019644-A Rapid quantitative detection of tumor hypoxia related enzyme by using cofactor-substrate probe platform 大连理工大学 2020-04-17 CN disclosed
US-9296711-B2 Substituted isoxazole amide compounds as inhibitors of stearoyl-CoA desaturase 1 (SCD1) HOFFMAN-LA ROCHE INC. (US) 2016-03-29 US disclosed
US-20150307463-A1 SUBSTITUTED ISOXAZOLE AMIDE COMPOUNDS AS INHIBITORS OF STEAROYL-COA DESATURASE 1 (SCD1) HOFFMANN-LA ROCHE INC. 2015-10-29 US disclosed
WO-2009109998-A1 NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS LUPIN LIMITED (IN) 2009-09-11 WO disclosed
EP-1848659-A4 OXYGEN SCAVENGING COMPOSITIONS AND PACKAGING COMPRISING SAID COMPOSITIONS CONSTAR INT INC (US) 2009-08-12 EP disclosed
CN-101193976-A Oxygen scavenging compositions and packages comprising the same CONSTAR INT INC (US) 2008-06-04 CN disclosed
EP-1848659-A2 OXYGEN SCAVENGING COMPOSITIONS AND PACKAGING COMPRISING SAID COMPOSITIONS Constar International Inc. (US) 2007-10-31 EP disclosed
WO-2006088889-A2 OXYGEN SCAVENGING COMPOSITIONS AND PACKAGING COMPRISING SAID COMPOSITIONS CONSTAR INTERNATIONAL, INC. (US) 2006-08-24 WO disclosed
US-20060180790-A1 polyesters; melt polymerization; packaging CONSTAR INTERNATIONAL INC. (US) 2006-08-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150307463-A1 SUBSTITUTED ISOXAZOLE AMIDE COMPOUNDS AS INHIBITORS OF STEAROYL-COA DESATURASE 1 (SCD1) SCD, SCD5, CPT1A CA12 3982/4885CA1 2895/4885CA2 2633/4885
US-20090278087-A1 Oxygen Scavenging Compositions and Packaging Comprising Said Compositions LPO, GPX4, PRDX3 CA12 2023/4885CA1 1371/4885CA2 1083/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.